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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2408698
CHEMBL2408698
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C24H24N4O7S

Additional synonyms for CHEMBL2408698 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC1Oc2ccccc2C(=O)/C/1=C/Nc3ccc(cc3)S(=O)(=O)Nc4cc(OC)nc(OC ...
Download SMILES
Standard InChI InChI=1S/C24H24N4O7S/c1-4-34-23-18(22(29)17-7-5-6-8-19(17)35 ...
Download InChI
Standard InChI Key KKTFRROIUIAWLB-JXAWBTAJSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL2408698

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
512.5 512.1366 3.23 9 137.97 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 2 1 11 2 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.13 2.91 2.17 .31 3 36 0.41

Structural Alerts

There are 4 structural alerts for CHEMBL2408698. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:KKTFRROIUIAWLB-JXAWBTAJSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2408698



PubChem 72204323

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/KKTFRROIUIAWLB-JXAWBTAJSA-N spacer
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